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Entry ID	Original Release date	Data summary	Entry Title	Citation Title	Authors
52591	2025-01-22	Chemical Shifts: 1 set	Methyl assignments for the stabIL-2 S1 mutant L56A	Regulating IL-2 Immune Signaling Function Via A Core Allosteric Structural Network	Ananya Majumdar, Charina S Fabilane, Claire H Woodward, Daniel Hwang, Ella C Teeley, Gregory R Bowman, Jamie B Spangler, Michael C Young, Nikolaos G Sgourakis, Shahlo O Solieva, Tony Trent, Viviane S De Paula
52583	2025-01-22	Chemical Shifts: 1 set	Backbone and methyl assignments for stabIL-2 S1	Regulating IL-2 Immune Signaling Function Via A Core Allosteric Structural Network	Ananya Majumdar, Charina S Fabilane, Claire H Woodward, Daniel Hwang, Ella C Teeley, Gregory R Bowman, Jamie B Spangler, Michael C Young, Nikolaos G Sgourakis, Shahlo O Solieva, Tony Trent, Viviane S De Paula
52582	2025-01-22	Chemical Shifts: 1 set	Backbone and methyl assignments for stabIL-2 S15	Regulating IL-2 Immune Signaling Function Via A Core Allosteric Structural Network	Ananya Majumdar, Charina S Fabilane, Claire H Woodward, Daniel Hwang, Ella C Teeley, Gregory R Bowman, Jamie B Spangler, Michael C Young, Nikolaos G Sgourakis, Shahlo O Solieva, Tony Trent, Viviane S De Paula
52520	2024-10-07	Chemical Shifts: 1 set	AILV Methyl Chemical Shifts for Mutant TAPBPR-bound HLA-A*02:01/TAX9 complex	CryoEM structure of an MHC-I/TAPBPR peptide bound intermediate reveals the mechanism of antigen proofreading	Apala Chaudhuri, Chloe Wang, Daniel Hwang, Julia N Danon, Kim Dasteh Goli, Leena Mallik, Nikolaos Sgourakis, Ruth A Pumroy, Vera Moiseenkova-Bell, Yi Sun
51999	2023-10-03	Chemical Shifts: 1 set	Methyl assignments of the light chain from the open MHC mutant HLA-B*37:01-G121C/b2m-H32C/FEDLRVJSF(photoB37) human MHC-I protein complex	A Chicken Tapasin ortholog can chaperone empty HLA-B*37:01 molecules independent of other peptide-loading components	Claire H Woodward, George M Burslem, Georgia F Papadaki, Michael C Young, Nikolaos G Sgourakis, Trenton J Winters
51781	2023-06-15	Chemical Shifts: 2 sets	Backbone assignments of the heavy and light chains from the disulfide mutant HLA-A*02:01-G121C/b2m-H32C/ELAGIGILTV(MART-1) human MHC-I protein complex	Universal open MHC-I molecules for rapid peptide loading and enhanced complex stability across HLA allotypes	Claire H Woodward, George M Burslem, Hau V Truong, Joan Font-Burgada, Julia N Danon, Michael C Young, Nikolaos G Sgourakis, Sagar Gupta, Trenton J Winters, Yi Sun
51105	2022-07-08	Chemical Shifts: 1 set	Ybt Cy1 D391N	Global protein dynamics as communication sensors in peptide synthetase domains	Aswani K Kancherla, Daniel P Dowling, Dominique P Frueh, Guillaume Bouvignies, Kenneth A Marincin, Nikolaos Sgourakis, Santrupti Nerli, Subrata H Mishra
51100	2022-10-12	Chemical Shifts: 1 set	Methyl resonance assignments of beta-2 microglobulin in complex with HLA-B*44:05T73C/EEFGRC and tapasin	Structural mechanism of tapasin-mediated MHC-I peptide loading in antigen presentation	Claire H Woodward, Daniel K Taylor, David H Margulies, Ellen J Kim, Hau V Truong, Javeed Ahmad, Jiansheng Jiang, Kannan Natarajan, Lisa F Boyd, Michael G Mage, Nikolaos G Sgourakis, Peter Cresswell
51101	2023-06-15	Chemical Shifts: 2 sets	Backbone assignments of the heavy and light chains from the HLA-A*02:01/b2m/ELAGIGILTV(MART-1) human MHC-I protein complex	Universal open MHC-I molecules for rapid peptide loading and enhanced complex stability across HLA allotypes	Claire H Woodward, George M Burslem, Hau V Truong, Joan Font-Burgada, Julia N Danon, Michael C Young, Nikolaos G Sgourakis, Sagar Gupta, Trenton J Winters, Yi Sun
51099	2022-10-12	Chemical Shifts: 1 set	Methyl resonance assignments of beta-2 microglobulin in complex with HLA-B*44:05T73C/EEFGRC	Structural mechanism of tapasin-mediated MHC-I peptide loading in antigen presentation	Claire H Woodward, Daniel K Taylor, David H Margulies, Ellen J Kim, Hau V Truong, Javeed Ahmad, Jiansheng Jiang, Kannan Natarajan, Lisa F Boyd, Michael G Mage, Nikolaos G Sgourakis, Peter Cresswell
51098	2022-10-12	Chemical Shifts: 1 set	Backbone and methyl resonance assignments of beta-2 microglobulin in complex with HLA-B*44:05/EEFGRAFSF	Structural mechanism of tapasin-mediated MHC-I peptide loading in antigen presentation	Claire H Woodward, Daniel K Taylor, David H Margulies, Ellen J Kim, Hau V Truong, Javeed Ahmad, Jiansheng Jiang, Kannan Natarajan, Lisa F Boyd, Michael G Mage, Nikolaos G Sgourakis, Peter Cresswell
51097	2022-10-12	Chemical Shifts: 1 set Residual Dipolar Couplings: 1 set	Resonance assignments and Residual Dipolar Couplings for Human Beta-2 microglobulin (b2m)	Structural mechanism of tapasin-mediated MHC-I peptide loading in antigen presentation	Claire H Woodward, Daniel K Taylor, David H Margulies, Ellen J Kim, Hau V Truong, Javeed Ahmad, Jiansheng Jiang, Kannan Natarajan, Lisa F Boyd, Michael G Mage, Nikolaos G Sgourakis, Peter Cresswell
30943	2022-07-08	Chemical Shifts: 1 set	Solution structure of first cyclization domain (Cy1) from yersiniabactin synthetase	Global protein dynamics as communication sensors in peptide synthetase domains	Aswani K Kancherla, Daniel P Dowling, Dominique P Frueh, Guillaume Bouvignies, Kenneth A Marincin, Nikolaos Sgourakis, Santrupti Nerli, Subrata H Mishra
51046	2021-08-30	Chemical Shifts: 1 set	AILV assignments of hpMR1 bound to bovien beta 2 microglobulin and Ac-6-FP	TAPBPR employs a ligand-independent docking mechanism to chaperone MR1 molecules	Adam I Green, Andrew C McShan, Christine A Devlin, Erik Procko, George M Burslem, Georgia F Papadaki, Giora I Morozov, Nikolaos G Sgourakis, Yi Sun
51045	2021-08-30	Chemical Shifts: 1 set	AILV methyl assignments for beta 2 microglobulin bound to hpMR1 and Ac-6-FP	TAPBPR employs a ligand-independent docking mechanism to chaperone MR1 molecules	Adam I Green, Andrew C McShan, Christine A Devlin, Erik Procko, George M Burslem, Georgia F Papadaki, Giora I Morozov, Nikolaos G Sgourakis, Yi Sun
51044	2021-08-30	Chemical Shifts: 2 sets	AILV methyl assignments of hpMR1 bound to Ac-6-FP, bB2m and TAPBPR	TAPBPR employs a ligand-independent docking mechanism to chaperone MR1 molecules	Adam I Green, Andrew C McShan, Christine A Devlin, Erik Procko, George M Burslem, Georgia F Papadaki, Giora I Morozov, Nikolaos G Sgourakis, Yi Sun
28114	2020-05-15	Chemical Shifts: 1 set	AILVproS stereospecific methyl chemical shift assignments of HLA-A*01:01, a human class I major histocompatibility complex heavy chain, bound to NRASQ61K neoepitope and human beta-2 microglobulin	AILVproS stereospecific methyl chemical shift assignments of HLA-A*01:01, a human class I major histocompatibility complex heavy chain, bound to NRASQ61K neoepitope and human beta-2 microglobulin	Andrew C McShan, Nikolaos G Sgourakis
28110	2020-12-02	Chemical Shifts: 1 set	Backbone and ILV methyl assignments for REC3 domain of SpCas9	Backbone-independent NMR resonance assignments of methyl probes in large proteins	Andrew C McShan, Nikolaos G Sgourakis, Santrupti Nerli, Viviane S De Paula
28107	2020-04-02	Chemical Shifts: 1 set	ILVproS methyl chemical shift assignments of HLA-A*02:01, a human class I major histocompatibility complex heavy chain, bound to TAX9 and human beta-2 microglobulin	TAPBPR Promotes Loading of Cargo on MHC-I Molecules Using a Peptide Trap	Andrew C McShan, Christine A Devlin, Danai Moschidi, Erik Procko, Giora I Morozov, Neha Akella, Nikolaos G Sgourakis, Sarah A Overall
28108	2020-04-02	Chemical Shifts: 1 set	ILVproS methyl chemical shift assignments of HLA-A*02:01, a human major histocompatibility complex heavy chain, peptide-deficient and bound to human beta-2 microglobulin and the molecular chaperone TAPBPR	TAPBPR Promotes Loading of Cargo on MHC-I Molecules Using a Peptide Trap	Andrew C McShan, Christine A Devlin, Danai Moschidi, Erik Procko, Giora I Morozov, Neha Akella, Nikolaos G Sgourakis, Sarah A Overall
28104	2020-12-02	Chemical Shifts: 1 set	Backbone and ILV methyl assignments of human Interleukin-2	Backbone-independent NMR resonance assignments of methyl probes in large proteins	Andrew C McShan, Nikolaos G Sgourakis, Santrupti Nerli, Viviane S De Paula
28105	2020-12-02	Chemical Shifts: 1 set	Backbone and ILV methyl chemical shift assignments of REC2 domain from SpyCas9	Backbone-independent NMR resonance assignments of methyl probes in large proteins	Andrew C McShan, Nikolaos G Sgourakis, Santrupti Nerli, Viviane S De Paula
28106	2020-12-02	Chemical Shifts: 1 set	Backbone and ILV methyl assignments for HNH domain of SpCas9	Backbone-independent NMR resonance assignments of methyl probes in large proteins	Andrew C McShan, Nikolaos G Sgourakis, Santrupti Nerli, Viviane S De Paula
27974	2020-04-03	Chemical Shifts: 1 set	MILV methyl chemical shift assignments of the R52A mutant of mouse Interleukin-2	Interleukin-2 druggability is modulated by global conformational transitions controlled by a helical capping switch	Caleb R Glassman, K Christopher C Garcia, Kevin M Jude, Nikolaos G Sgourakis, Santrupti Nerli, Viviane S De Paula
27970	2020-04-03	Chemical Shifts: 1 set	ILV(proS) methyl assignment of mIL-2 in complex with JES6-1 scFV antibody	Interleukin-2 druggability is modulated by global conformational transitions controlled by a helical capping switch	Caleb R Glassman, K Christopher C Garcia, Kevin M Jude, Nikolaos G Sgourakis, Santrupti Nerli, Viviane S De Paula
27971	2020-04-03	Chemical Shifts: 1 set	ILV(proS) methyl assignment of mIL-2 in complex with IL-2Ra (CD25) receptor	Interleukin-2 druggability is modulated by global conformational transitions controlled by a helical capping switch	Caleb R Glassman, K Christopher C Garcia, Kevin M Jude, Nikolaos G Sgourakis, Santrupti Nerli, Viviane S De Paula
27969	2020-04-03	Chemical Shifts: 1 set	Backbone amide and MILV methyl chemical shift assignments of mouse Interleukin-2	Interleukin-2 druggability is modulated by global conformational transitions controlled by a helical capping switch	Caleb R Glassman, K Christopher C Garcia, Kevin M Jude, Nikolaos G Sgourakis, Santrupti Nerli, Viviane S De Paula
27764	2019-06-13	Chemical Shifts: 3 sets	FoxM1 Transactivation Domain, Phosphorylated form	An order-to-disorder structural switch activates the FoxM1 transcription factor.	Aimee H Marceau, Andrew C McShane, Caileen Brison, Eefei Chen, Heather E Arsenault, Hsiau-Wei Lee, Jennifer A Benanti, Nikolaos G Sgourakis, Santrupti Nerli, Seth M Rubin
27763	2019-06-13	Chemical Shifts: 1 set	FoxM1 Transactivation Domain	An order-to-disorder structural switch activates the FoxM1 transcription factor.	Aimee H Marceau, Andrew C McShane, Caileen Brison, Eefei Chen, Heather E Arsenault, Hsiau-Wei Lee, Jennifer A Benanti, Nikolaos G Sgourakis, Santrupti Nerli, Seth M Rubin
27682	2020-02-28	Chemical Shifts: 1 set	Backbone amide and AILV methyl chemical shift assignments for H2-Ld, a mouse class I major histocompatibility molecule heavy chain	Molecular determinants of chaperone interactions on MHC-I for folding and antigen repertoire selection	Andrew C McShan, Christine A Devlin, Danai Moschidi, David Flores-Solis, Erik Procko, Hannah Choi, Jihye Park, Jugmohit S Toor, Nikolaos G Sgourakis, Sarah A Overall, Sarvind Tripathi
27632	2018-11-01	Chemical Shifts: 2 sets	Backbone amide and AILV methyl chemical shift assignments for HLA-A*01:01, a human class I major histocompatibility molecule heavy chain	Molecular determinants of chaperone interactions on MHC-I for folding and antigen repertoire selection	Andrew C McShan, Christine A Devlin, Danai Moschidi, David Flores-Solis, Erik Procko, Hannah Choi, Jihye Park, Jugmohit S Toor, Nikolaos G Sgourakis, Sarah A Overall, Sarvind Tripathi
27631	2018-11-01	Chemical Shifts: 1 set	Backbone amide and AILV methyl chemical shift assignments for HLA-A*02:01, a human class I major histocompatibility molecule heavy chain.	Molecular determinants of chaperone interactions on MHC-I for folding and antigen repertoire selection	Andrew C McShan, Christine A Devlin, Danai Moschidi, David Flores-Solis, Erik Procko, Hannah Choi, Jihye Park, Jugmohit S Toor, Nikolaos G Sgourakis, Sarah A Overall, Sarvind Tripathi
30495	2018-10-31	Chemical Shifts: 1 set	Solution NMR structure of a de novo designed double-stranded beta-helix	De novo design of a non-local beta-sheet protein with high stability and accuracy.	Andrew C McShan, Audrey Davis, David Baker, Enrique Marcos, Gustav Oberdorfer, Konstantinos Tripsianes, Lauren Carter, Lucas G Nivon, Nikolaos G Sgourakis, Santrupti Nerli, Tamuka M Chidyausiku, Thomas Evangelidis
30474	2018-12-13	Chemical Shifts: 1 set Spectral_peak_list: 2 sets	De Novo Design of a Protein Heterodimer with Specificity Mediated by Hydrogen Bond Networks	Programmable design of orthogonal protein heterodimers.	Aniruddha Sahasrabuddhe, David Baker, David Flores-Solis, Florian Busch, Frank DiMaio, Lauren P Carter, Matthew J Bick, Mengxuan Jia, Nikolaos G Sgourakis, Peilong Lu, Robert A Langan, Scott E Boyken, Sherry Bermeo, T J Brunette, Vicki H Wysocki, Vikram Khipple K Mulligan, Zachary L VanAernum, Zibo Chen
27248	2018-08-16	Chemical Shifts: 1 set	Backbone amide and AILV methyl chemical shift assignments for Beta2-microglobulin, a human class I major histocompatibility molecule light chain	Peptide exchange on MHC-I by TAPBPR is driven by a negative allostery release cycle	Andrew C McShan, Clive R Bagshaw, David Flores-Solis, David H Margulies, Evgenii L Kovrigin, Jiansheng Jiang, Jugmohit S Toor, Kannan Natarajan, Mareike Badstubner, Nikolaos G Sgourakis, Vlad K Kumirov
27249	2018-08-16	Chemical Shifts: 1 set	Backbone amide and AILV methyl chemical shift assignments for H2-Dd, a murine class I major histocompatibility molecule heavy chain	Peptide exchange on MHC-I by TAPBPR is driven by a negative allostery release cycle	Andrew C McShan, Clive R Bagshaw, David Flores-Solis, David H Margulies, Evgenii L Kovrigin, Jiansheng Jiang, Jugmohit S Toor, Kannan Natarajan, Mareike Badstubner, Nikolaos G Sgourakis, Vlad K Kumirov
26977	2017-05-23	Chemical Shifts: 1 set	An allosteric site in the T cell receptor constant domain plays a critical role in T cell signaling	An allosteric site in the T-cell receptor Cbeta domain plays a critical signalling role	Ad Bax, Andrew C McShan, David H Margulies, Huaying Zhao, Jiansheng Jiang, Jinfa Ying, Kannan Natarajan, Lisa F Boyd, Mulualem E Tilahun, Nikolaos G Sgourakis, Peter Schuck, Rui Wang, Vlad K Kumirov
26646	2016-07-15	Chemical Shifts: 1 set	A Novel MHC-I Surface Targeted for Binding by the MCMV m06 Immunoevasin Revealed by Solution NMR	A Novel MHC-I Surface Targeted for Binding by the MCMV m06 Immunoevasin Revealed by Solution NMR	Ad Bax, David H Margulies, Jinfa Ying, Lisa F Boyd, Nathan A May, Nikolaos G Sgourakis
25237	2014-12-08	Chemical Shifts: 1 set	Solution NMR Structure of Maltose-binding protein from Escherichia coli, Northeast Structural Genomics Consortium (NESG) Target ER690	Solution NMR Structure of Maltose-binding protein from Escherichia coli, Northeast Structural Genomics Consortium (NESG) Target ER690	Asli Ertekin, David Baker, Gaetano T Montelione, Hsiau-Wei Lee, James M Aramini, Nikolaos G Sgourakis, Oliver F Lange, Paolo Rossi, Rong Xiao, Thomas B Acton, Yifan Song
25004	2015-04-20	Chemical Shifts: 1 set	Chemical shift assignments for the parallel in-register D23N Iowa Mutant Beta Amyloid Fibrils	Modeling an in-register, parallel "iowa" a beta fibril structure using solid-state NMR data from labeled samples with rosetta	Nikolaos Sgourakis, Wai-Ming Yau, Wei Qiang
19800	2014-10-27	Chemical Shifts: 1 set	Structure of the PrgK first periplasmic domain	The structure of PrgK reveals structural rearrangements upon assembly of the type III secretion system basal body.	Adrienne Cheung, David Baker, Emilie Lameignere, Julien Bergeron, Lawrence McIntosh, Liam Worrall, Mark Okon, Natalie Strynadka, Nikolaos Sgourakis, Soumya De
19699	2014-07-14	Chemical Shifts: 1 set	Structure of the m04/gp34 mouse Cytomegalovirus Immunoevasin core domain	The murine Cytomegalovirus gp34/m04 protein contains a core domain with novel structure revealed by solution NMR	Ad Bax, David H Margulies, Kannan Natarajan, Nikolaos G Sgourakis
19235	2013-09-03	Chemical Shifts: 1 set	Solution structure of the Aha1 dimer from Colwellia psychrerythraea	Discriminating the Symmetric Dimer Interface of the 33kDa Aha1 Domain by combining NMR and SAXS data in a hybrid method	Christopher M Barbieri, David Baker, Edward H Snell, Gaetano T Montelione, Gaohua Liu, Hsiau-Wei Lee, Joseph R Luft, Lei Shi, Nikolaos G Sgourakis, Oliver A Lange, Paolo Rossi, Rong Xiao, Thomas B Acton, Thomas D Grant
18651	2013-02-14	Chemical Shifts: 1 set	13C and 15N chemical shifts for Shigella Flexneri MxiH Type three secretion system needle subunit	The Common Structural Architecture of Shigella flexneri and Salmonella typhimurium Type Three Secretion Needles	Adam Lange, Antoine Loquet, Britta Laube, David Baker, Dietmar Riedel, Jean-Philippe Demers, Karin Giller, Michael Kolbe, Nikolaos G Sgourakis, Rashmi Gupta, Stefan Becker
16114	2010-02-11	Chemical Shifts: 1 set Residual Dipolar Couplings: 1 set	Solution structure of a Ubiquitin/UIM fusion protein	Conformational dynamics and structural plasticity play critical roles in the ubiquitin recognition of a UIM domain.	Angel E Garcia, George I Makhatadze, Mayank M Patel, Nikolaos G Sgourakis, Scott A McCallum